============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 20 1.040 38.932 112.484 34.794 -99.200 -91.000 TRP6 20 1.020 38.472 114.810 34.521 -99.200 -91.000 PHE 22 1.000 45.315 114.328 35.194 -99.200 -91.000 TRP 30 1.040 41.877 123.688 43.828 -99.200 -91.000 TRP6 30 1.020 42.005 122.754 45.968 -99.200 -91.000 HIS 31 0.900 38.356 117.471 41.036 -99.200 -91.000 HIS 33 0.900 36.188 112.979 42.890 -99.200 -91.000 TYR 36 0.840 37.091 109.444 43.521 -99.200 -91.000 TYR 64 0.840 43.597 105.664 43.866 -99.200 -91.000 HIS 72 0.900 41.380 115.384 44.670 -99.200 -91.000 PHE 82 1.000 49.222 109.067 36.037 -99.200 -91.000 PHE 84 1.000 42.712 109.868 37.221 -99.200 -91.000